SCHEMBL30971174

SCHEMBL30971174

COc1ccc(C)c(-c2cc(C#N)nc3c2ccn3C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KDM4E B2RXH2 7/20 0.33
▸ HPGD P15428 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ AR P10275 3/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTBP1 P26599 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HTT P42858 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30971205 0.87 KDM4E (0.35) PRKCQPRKCDDYRK1ALMNAMAPT
SCHEMBL30971101 0.85 KDM4E (0.33) DYRK1AKDM4EHPGDALDH1A1HSD17B10
SCHEMBL30971210 0.85 DYRK1A (0.36) DYRK1AMAPTKDM4EHPGDALDH1A1
SCHEMBL30971116 0.84 PRMT5 (0.36) DYRK1AMAPTKDM4EHPGDALDH1A1
SCHEMBL30971261 0.82 DYRK1A (0.44) PRKCQPRKCDDYRK1ALMNAMAPT
SCHEMBL30971070 0.78 GRM2 (0.39) HPGDHSD17B10GAA
SCHEMBL30971218 0.77 KDM4E (0.41) DYRK1ALMNAMAPTKDM4EHPGD
SCHEMBL30971052 0.75 TUBB4A (0.36) DYRK1AKDM4EHPGDALDH1A1HSD17B10
SCHEMBL30971088 0.71 ADORA3 (0.41) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL30971118 0.69 PIM1 (0.32) KDM4EALDH1A1CTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638420-A1 COMPOUNDS THAT INHIBIT PKMYT1 Exelixis, Inc. (US) 2025-10-29 — — EP disclosed
WO-2024137671-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-06-27 — — WO disclosed
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